ethyl 1-[5-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylpentanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylpentanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylpentanoyl]piperidine-3-carboxylate CAS Name: 1-[5-[(4,5-diphenyl-1-propyl-2-imidazolyl)thio]-1-oxopentyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpentanoyl]piperidine-3-carboxylate Traditional Name: 1-[5-[(4,5-diphenyl-1-propyl-imidazol-2-yl)thio]pentanoyl]nipecotic acid ethyl ester Formula: C31H39N3O3S MolecularWeight: 533.72466

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(N=C1SCCCCC(=O)N2CCCC(C2)C(=O)OCC)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=C(N=C1SCCCCC(=O)N2CCCC(C2)C(=O)OCC)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H39N3O3S/c1-3-20-34-29(25-16-9-6-10-17-25)28(24-14-7-5-8-15-24)32-31(34)38-22-12-11-19-27(35)33-21-13-18-26(23-33)30(36)37-4-2/h5-10,14-17,26H,3-4,11-13,18-23H2,1-2H3